#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kk1 n GLY 2 N 0.00 1.46 2.76 3.03 0.00 -1.26 -5.09 105.19 106.09 2kk1 n GLY 2 Ca 0.00 -0.16 -0.04 0.00 0.00 0.00 0.00 46.02 45.82 2kk1 n GLY 2 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2kk1 n HIS 3 N 0.00 0.94 -0.96 1.61 -0.00 -1.26 -5.00 115.22 110.56 2kk1 n HIS 3 Ca 0.00 -2.37 -0.17 0.00 -0.00 0.00 0.00 57.72 55.18 2kk1 n HIS 3 Cb 0.00 -0.15 -0.12 0.00 -0.00 0.00 0.00 29.99 29.73 2kk1 n HIS 3 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2kk1 n HIS 4 N -0.43 0.58 0.00 -1.40 -0.00 -1.26 -4.76 115.22 107.95 2kk1 n HIS 4 Ca 0.06 -1.73 0.00 0.00 -0.00 0.00 0.00 57.72 56.05 2kk1 n HIS 4 Cb 0.81 -1.69 0.00 0.00 -0.00 0.00 0.00 29.99 29.12 2kk1 n HIS 4 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 2kk1 n HIS 5 N 2.88 0.00 -3.52 1.57 -0.00 -1.26 -5.19 115.22 109.69 2kk1 n HIS 5 Ca 0.47 0.00 -0.15 0.00 -0.00 0.00 0.00 57.72 58.04 2kk1 n HIS 5 Cb 0.65 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 30.59 2kk1 n HIS 5 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2kk1 s HIS 6 N -2.00 -0.55 0.46 -1.40 0.00 -1.26 -5.16 115.29 105.38 2kk1 s HIS 6 Ca 0.00 0.85 -0.24 0.00 -3.00 0.00 0.00 55.06 52.67 2kk1 s HIS 6 Cb 0.00 0.45 -0.08 0.00 -4.00 0.00 0.00 32.58 28.94 2kk1 s HIS 6 CO 0.00 -0.56 1.29 1.58 -1.00 0.00 0.00 174.74 176.05 2kk1 n HIS 7 N 0.65 2.16 -2.11 0.38 -0.00 -1.26 -4.83 115.22 110.21 2kk1 n HIS 7 Ca -0.16 0.47 -0.29 0.00 -0.00 0.00 0.00 57.72 57.74 2kk1 n HIS 7 Cb 0.58 -2.37 -0.06 0.00 -0.00 0.00 0.00 29.99 28.15 2kk1 n HIS 7 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kk1 s HIS 8 N -1.24 2.02 -0.47 1.57 4.02 -1.26 -4.91 115.29 115.02 2kk1 s HIS 8 Ca 0.64 0.30 -0.23 0.00 1.02 0.00 0.00 55.06 56.79 2kk1 s HIS 8 Cb -0.48 -4.06 0.03 0.00 -1.02 0.00 0.00 32.58 27.06 2kk1 s HIS 8 CO 0.56 -1.23 0.81 -1.54 1.02 0.00 0.00 174.74 174.35 2kk1 s SER 9 N 6.29 6.39 0.00 1.40 1.04 -1.26 -5.03 113.70 122.54 2kk1 s SER 9 Ca 0.67 -0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.92 2kk1 s SER 9 Cb -0.00 -2.39 0.00 0.00 0.10 0.00 0.00 66.02 63.72 2kk1 s SER 9 CO 0.13 -0.98 0.00 0.00 0.98 0.00 0.00 173.24 173.38 2kk1 n HIS 10 N 6.84 -0.10 -3.88 5.02 -0.00 -1.26 -5.18 115.22 116.68 2kk1 n HIS 10 Ca 0.02 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.64 2kk1 n HIS 10 Cb 0.48 0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 30.46 2kk1 n HIS 10 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.34 175.01 2kk1 n MET 11 N -0.03 1.37 -3.83 -1.40 2.81 -1.26 -5.14 117.12 109.63 2kk1 n MET 11 Ca 0.00 -1.18 -0.37 0.00 -1.81 0.00 0.00 57.70 54.33 2kk1 n MET 11 Cb 0.00 0.21 -0.06 0.00 -0.71 0.00 0.00 33.22 32.66 2kk1 n MET 11 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2kk1 s ALA 12 N -2.28 3.85 -0.05 3.04 0.00 -1.26 -5.10 121.76 119.96 2kk1 s ALA 12 Ca 0.06 -0.59 -0.01 0.00 0.00 0.00 0.00 51.96 51.42 2kk1 s ALA 12 Cb -0.00 -2.02 0.03 0.00 0.00 0.00 0.00 23.12 21.12 2kk1 s ALA 12 CO 0.04 0.59 0.01 0.54 0.00 0.00 0.00 175.76 176.95 2kk1 s ASN 13 N -1.00 1.18 -0.26 0.00 4.22 -1.26 -5.11 114.94 112.71 2kk1 s ASN 13 Ca 0.16 -0.03 -0.29 0.00 -2.14 0.00 0.00 52.86 50.56 2kk1 s ASN 13 Cb -0.13 -0.31 -0.02 0.00 1.28 0.00 0.00 41.25 42.07 2kk1 s ASN 13 CO 0.05 -0.18 1.66 -0.83 -2.04 0.00 0.00 177.10 175.76 2kk1 s GLY 14 N 1.75 1.10 -0.23 0.45 0.00 -1.26 -4.97 107.32 104.16 2kk1 s GLY 14 Ca 0.01 0.40 -0.04 0.00 0.00 0.00 0.00 44.72 45.09 2kk1 s GLY 14 CO -0.04 3.08 0.18 0.00 0.00 0.00 0.00 173.10 176.32 2kk1 s ALA 15 N 5.67 0.09 -0.43 3.20 0.00 -1.26 -5.12 121.76 123.91 2kk1 s ALA 15 Ca 0.74 -0.30 -0.09 0.00 0.00 0.00 0.00 51.96 52.30 2kk1 s ALA 15 Cb -0.24 -1.34 0.09 0.00 0.00 0.00 0.00 23.12 21.63 2kk1 s ALA 15 CO 0.31 -1.39 0.28 0.00 0.00 0.00 0.00 175.76 174.97 2kk1 s ALA 16 N 2.23 3.32 -0.65 0.00 0.00 -1.26 -4.59 121.76 120.81 2kk1 s ALA 16 Ca 0.06 -2.23 -0.01 0.00 0.00 0.00 0.00 51.96 49.78 2kk1 s ALA 16 Cb -0.16 -2.71 0.00 0.00 0.00 0.00 0.00 23.12 20.26 2kk1 s ALA 16 CO -0.21 -1.71 0.15 0.41 0.00 0.00 0.00 175.76 174.41 2kk1 n GLY 17 N 4.93 0.14 0.20 0.00 0.00 -1.26 -4.97 105.19 104.23 2kk1 n GLY 17 Ca -0.10 -0.47 -0.15 0.00 0.00 0.00 0.00 46.02 45.31 2kk1 n GLY 17 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2kk1 h THR 18 N -0.35 0.69 0.00 2.61 2.02 -2.00 -1.26 112.91 114.63 2kk1 h THR 18 Ca -0.20 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 66.95 2kk1 h THR 18 Cb 1.14 0.70 0.00 0.00 -1.74 0.00 0.00 68.15 68.26 2kk1 h THR 18 CO 0.23 0.01 0.00 2.29 0.37 0.00 0.00 175.52 178.41 2kk1 n LYS 19 N -5.27 0.23 0.00 6.66 2.85 -1.26 -2.30 118.16 119.07 2kk1 n LYS 19 Ca -0.10 0.11 0.00 0.00 -1.05 0.00 0.00 58.31 57.27 2kk1 n LYS 19 Cb 0.19 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.07 2kk1 n LYS 19 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 177.40 178.90 2kk1 n VAL 20 N -1.18 0.19 0.08 0.58 3.14 -1.12 -4.81 118.33 115.22 2kk1 n VAL 20 Ca 0.06 -0.21 -0.15 0.00 -2.96 0.00 0.00 64.34 61.08 2kk1 n VAL 20 Cb 0.07 1.04 -0.09 0.00 -1.06 0.00 0.00 33.84 33.80 2kk1 n VAL 20 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2kk1 h ALA 21 N 0.00 -0.85 -0.12 1.55 0.00 -0.80 -2.72 119.26 116.32 2kk1 h ALA 21 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2kk1 h ALA 21 Cb 0.80 0.84 0.00 0.00 0.00 0.00 0.00 17.79 19.43 2kk1 h ALA 21 CO 0.00 -1.05 0.00 1.28 0.00 0.00 0.00 179.25 179.48 2kk1 n LEU 22 N -5.47 2.56 -0.05 0.00 4.77 -1.26 -4.94 117.00 112.61 2kk1 n LEU 22 Ca -0.07 -0.94 -0.01 0.00 -0.03 0.00 0.00 56.01 54.97 2kk1 n LEU 22 Cb 0.39 -0.06 -0.00 0.00 -2.33 0.00 0.00 43.42 41.42 2kk1 n LEU 22 CO 0.15 0.47 -0.01 0.54 -1.33 0.00 0.00 177.39 177.21 2kk1 n ARG 23 N 0.96 -1.88 0.11 3.23 5.12 -1.03 -4.81 116.66 118.36 2kk1 n ARG 23 Ca 0.17 0.50 0.12 0.00 -1.93 0.00 0.00 57.85 56.70 2kk1 n ARG 23 Cb 0.51 -4.92 0.01 0.00 -1.16 0.00 0.00 32.46 26.89 2kk1 n ARG 23 CO 0.00 0.00 0.00 0.87 -1.93 0.00 0.00 177.63 176.57 2kk1 h LYS 24 N 0.05 0.00 -5.49 5.56 1.79 -1.92 -3.47 116.57 113.09 2kk1 h LYS 24 Ca -0.01 0.00 -0.64 0.00 -2.18 0.00 0.00 60.65 57.82 2kk1 h LYS 24 Cb 0.96 0.00 -0.10 0.00 -1.58 0.00 0.00 32.23 31.51 2kk1 h LYS 24 CO 0.02 0.00 -0.50 0.95 -1.08 0.00 0.00 179.45 178.84 2kk1 s THR 25 N -3.36 5.36 0.00 -0.16 -4.23 -1.26 -5.11 115.64 106.88 2kk1 s THR 25 Ca -0.00 0.16 0.00 0.00 -1.18 0.00 0.00 61.69 60.67 2kk1 s THR 25 Cb 0.09 -3.38 0.00 0.00 1.34 0.00 0.00 72.50 70.56 2kk1 s THR 25 CO 0.79 0.54 0.00 0.29 -0.54 0.00 0.00 174.62 175.69 2kk1 n LYS 26 N 2.70 0.18 0.02 3.99 5.02 -1.26 -4.93 118.16 123.87 2kk1 n LYS 26 Ca -0.18 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.11 2kk1 n LYS 26 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.55 2kk1 n LYS 26 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2kk1 n GLN 27 N -0.93 0.00 -3.63 1.97 10.64 -1.26 -5.07 117.38 119.10 2kk1 n GLN 27 Ca 0.00 0.00 -0.05 0.00 -1.83 0.00 0.00 57.00 55.12 2kk1 n GLN 27 Cb 0.00 0.00 -0.06 0.00 -0.86 0.00 0.00 30.24 29.32 2kk1 n GLN 27 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2kk1 s ALA 28 N -2.00 -2.11 0.61 2.61 0.00 -1.26 -5.01 121.76 114.60 2kk1 s ALA 28 Ca 0.00 1.76 0.29 0.00 0.00 0.00 0.00 51.96 54.01 2kk1 s ALA 28 Cb 0.00 -1.49 1.51 0.00 0.00 0.00 0.00 23.12 23.14 2kk1 s ALA 28 CO 0.00 -0.19 1.90 0.00 0.00 0.00 0.00 175.76 177.47 2kk1 h ALA 29 N 2.89 1.93 -0.80 0.00 0.00 -2.02 0.75 119.26 122.01 2kk1 h ALA 29 Ca -0.20 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.79 2kk1 h ALA 29 Cb 1.19 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.94 2kk1 h ALA 29 CO 0.20 -0.60 0.52 0.93 0.00 0.00 0.00 179.25 180.31 2kk1 h GLU 30 N 0.00 0.74 0.00 0.00 4.39 -2.02 -3.17 114.58 114.52 2kk1 h GLU 30 Ca 0.15 -0.04 -0.14 0.00 0.34 0.00 0.00 59.36 59.66 2kk1 h GLU 30 Cb 1.02 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 29.47 2kk1 h GLU 30 CO -0.00 0.49 -1.74 1.17 -1.16 0.00 0.00 179.01 177.77 2kk1 n LYS 31 N -4.50 1.41 -1.89 2.33 3.00 0.10 -4.94 118.16 113.66 2kk1 n LYS 31 Ca 0.13 -0.05 -0.39 0.00 -0.00 0.00 0.00 58.31 58.00 2kk1 n LYS 31 Cb 0.30 -1.31 -0.03 0.00 0.00 0.00 0.00 35.03 33.99 2kk1 n LYS 31 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 2kk1 s ILE 32 N -2.53 3.27 0.45 3.15 1.01 -0.26 -4.84 121.20 121.46 2kk1 s ILE 32 Ca -0.06 0.19 0.20 0.00 0.00 0.00 0.00 60.65 60.98 2kk1 s ILE 32 Cb 0.05 -3.60 0.39 0.00 0.01 0.00 0.00 42.46 39.31 2kk1 s ILE 32 CO 0.51 -0.55 1.90 0.28 0.00 0.00 0.00 174.94 177.09 2kk1 h SER 33 N 15.82 0.29 -0.99 3.58 0.02 -1.91 -1.86 113.55 128.50 2kk1 h SER 33 Ca -0.27 0.02 0.16 0.00 -0.84 0.00 0.00 61.79 60.86 2kk1 h SER 33 Cb 1.19 -0.03 -0.09 0.00 0.14 0.00 0.00 62.40 63.61 2kk1 h SER 33 CO 1.16 0.14 0.62 0.00 -1.14 0.00 0.00 176.83 177.60 2kk1 h ALA 34 N 1.63 1.66 0.00 3.77 0.00 -1.88 0.67 119.26 125.11 2kk1 h ALA 34 Ca 0.40 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.27 2kk1 h ALA 34 Cb 1.10 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 2kk1 h ALA 34 CO -0.11 0.04 -0.40 0.22 0.00 0.00 0.00 179.25 179.00 2kk1 h ASP 35 N 0.84 0.00 0.11 0.00 3.58 -1.65 -3.08 116.42 116.22 2kk1 h ASP 35 Ca 0.53 0.00 -0.26 0.00 0.42 0.00 0.00 57.03 57.72 2kk1 h ASP 35 Cb 0.73 0.00 0.02 0.00 1.72 0.00 0.00 39.33 41.80 2kk1 h ASP 35 CO -0.31 0.40 -1.04 0.50 -2.88 0.00 0.00 179.24 175.91 2kk1 h LYS 36 N 0.00 0.61 -5.65 0.28 3.64 -0.98 -3.44 116.57 111.03 2kk1 h LYS 36 Ca -0.00 -0.68 -0.48 0.00 -1.27 0.00 0.00 60.65 58.22 2kk1 h LYS 36 Cb 0.79 0.20 0.01 0.00 -0.41 0.00 0.00 32.23 32.82 2kk1 h LYS 36 CO 0.05 1.28 1.62 -0.89 -2.27 0.00 0.00 179.45 179.24 2kk1 n ILE 37 N -3.81 -0.04 -2.98 2.00 2.08 -0.53 -4.95 119.36 111.14 2kk1 n ILE 37 Ca -0.10 -0.76 -0.29 0.00 0.56 0.00 0.00 62.75 62.16 2kk1 n ILE 37 Cb 0.88 -2.76 -0.03 0.00 -0.75 0.00 0.00 39.64 36.99 2kk1 n ILE 37 CO 0.00 0.00 0.00 -0.44 0.56 0.00 0.00 176.55 176.67 2kk1 s SER 38 N 11.77 6.45 0.16 4.38 0.01 -1.26 -4.87 113.70 130.34 2kk1 s SER 38 Ca 0.99 0.95 -0.22 0.00 1.31 0.00 0.00 55.95 58.98 2kk1 s SER 38 Cb -0.20 -2.25 0.06 0.00 0.21 0.00 0.00 66.02 63.84 2kk1 s SER 38 CO 0.27 -0.37 1.61 0.50 0.41 0.00 0.00 173.24 175.67 2kk1 h LYS 39 N 1.18 -0.23 -0.41 12.44 3.64 -2.00 -1.37 116.57 129.81 2kk1 h LYS 39 Ca -0.47 0.02 0.03 0.00 -1.27 0.00 0.00 60.65 58.95 2kk1 h LYS 39 Cb 1.19 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 33.03 2kk1 h LYS 39 CO 0.64 -0.15 0.22 1.05 -2.27 0.00 0.00 179.45 178.93 2kk1 h GLU 40 N -0.24 0.42 -1.00 1.90 4.11 -1.99 -1.63 114.58 116.16 2kk1 h GLU 40 Ca 0.17 -0.03 0.12 0.00 0.07 0.00 0.00 59.36 59.69 2kk1 h GLU 40 Cb 0.51 -0.10 -0.08 0.00 0.50 0.00 0.00 28.75 29.58 2kk1 h GLU 40 CO -0.49 0.28 0.62 0.00 0.07 0.00 0.00 179.01 179.49 2kk1 h ALA 41 N 1.21 1.50 0.05 1.06 0.00 -1.71 0.49 119.26 121.85 2kk1 h ALA 41 Ca 0.17 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 2kk1 h ALA 41 Cb 0.06 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.65 2kk1 h ALA 41 CO -0.11 0.22 -0.02 1.25 0.00 0.00 0.00 179.25 180.59 2kk1 h LEU 42 N 0.98 -0.05 -0.49 0.00 6.46 -1.00 -3.00 115.31 118.21 2kk1 h LEU 42 Ca 0.49 -0.56 0.03 0.00 -0.12 0.00 0.00 57.88 57.73 2kk1 h LEU 42 Cb 0.49 0.01 -0.04 0.00 -0.73 0.00 0.00 40.66 40.39 2kk1 h LEU 42 CO -0.27 0.57 0.27 -0.07 -0.62 0.00 0.00 178.44 178.32 2kk1 h LEU 43 N -0.71 0.41 -1.46 2.25 3.38 -0.91 -1.22 115.31 117.05 2kk1 h LEU 43 Ca -0.01 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2kk1 h LEU 43 Cb 0.61 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 2kk1 h LEU 43 CO 0.01 0.29 0.25 -0.33 0.09 0.00 0.00 178.44 178.75 2kk1 h GLU 44 N 0.53 0.62 -0.44 1.13 4.39 -1.03 0.18 114.58 119.96 2kk1 h GLU 44 Ca 0.20 -0.06 -0.09 0.00 0.34 0.00 0.00 59.36 59.75 2kk1 h GLU 44 Cb 0.07 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.57 2kk1 h GLU 44 CO -0.12 0.45 -0.11 0.00 -1.16 0.00 0.00 179.01 178.08 2kk1 h ALA 46 N 1.17 0.84 -0.68 0.00 0.00 -0.07 -2.95 119.26 117.56 2kk1 h ALA 46 Ca 0.12 -0.38 0.12 0.00 0.00 0.00 0.00 54.91 54.77 2kk1 h ALA 46 Cb 0.59 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 2kk1 h ALA 46 CO 0.04 0.64 0.46 0.22 0.00 0.00 0.00 179.25 180.60 2kk1 h ASP 47 N 0.70 0.41 -0.90 0.00 3.58 -0.89 -1.33 116.42 117.99 2kk1 h ASP 47 Ca 0.09 0.01 0.01 0.00 0.42 0.00 0.00 57.03 57.56 2kk1 h ASP 47 Cb 0.76 -0.07 -0.04 0.00 1.72 0.00 0.00 39.33 41.70 2kk1 h ASP 47 CO 0.06 0.23 0.58 -0.07 -2.88 0.00 0.00 179.24 177.16 2kk1 h LEU 48 N 0.45 1.04 0.00 2.28 3.38 -1.46 -0.89 115.31 120.10 2kk1 h LEU 48 Ca 0.32 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.26 2kk1 h LEU 48 Cb 0.65 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2kk1 h LEU 48 CO -0.10 0.77 -0.00 -0.07 0.09 0.00 0.00 178.44 179.13 2kk1 h LEU 49 N 1.22 -0.00 -0.96 1.67 4.07 -1.34 0.40 115.31 120.38 2kk1 h LEU 49 Ca 0.33 -0.49 0.12 0.00 0.08 0.00 0.00 57.88 57.92 2kk1 h LEU 49 Cb -0.12 0.00 -0.08 0.00 1.08 0.00 0.00 40.66 41.54 2kk1 h LEU 49 CO -0.07 0.49 0.58 0.28 -1.08 0.00 0.00 178.44 178.64 2kk1 h SER 50 N -0.49 0.84 -0.08 -0.43 0.02 -1.38 0.22 113.55 112.25 2kk1 h SER 50 Ca -0.00 0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 2kk1 h SER 50 Cb 0.49 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 62.91 2kk1 h SER 50 CO 0.00 0.44 0.00 -1.28 -1.14 0.00 0.00 176.83 174.85 2kk1 h SER 51 N 0.91 0.14 1.03 3.07 0.87 -1.10 -3.02 113.55 115.45 2kk1 h SER 51 Ca 0.48 -0.30 -0.01 0.00 -1.23 0.00 0.00 61.79 60.73 2kk1 h SER 51 Cb 0.50 -0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 62.42 2kk1 h SER 51 CO -0.28 0.41 -0.05 0.00 -0.53 0.00 0.00 176.83 176.38 2kk1 h ALA 52 N 0.73 1.01 0.00 6.23 0.00 -0.16 -2.28 119.26 124.79 2kk1 h ALA 52 Ca 0.02 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2kk1 h ALA 52 Cb 0.34 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2kk1 h ALA 52 CO 0.00 0.06 -0.50 -0.07 0.00 0.00 0.00 179.25 178.75 2kk1 h LEU 53 N 0.00 0.00 0.04 0.00 3.38 -0.61 -3.37 115.31 114.75 2kk1 h LEU 53 Ca -0.00 -0.13 -0.32 0.00 0.09 0.00 0.00 57.88 57.52 2kk1 h LEU 53 Cb 0.57 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.29 2kk1 h LEU 53 CO 0.01 0.06 -1.77 0.35 0.09 0.00 0.00 178.44 177.18 2kk1 n THR 54 N -2.29 1.62 -3.34 0.22 -2.24 -0.96 -4.81 114.28 102.48 2kk1 n THR 54 Ca 0.03 -0.33 -0.31 0.00 -2.27 0.00 0.00 64.05 61.18 2kk1 n THR 54 Cb 0.46 -1.87 -0.04 0.00 -2.10 0.00 0.00 70.33 66.77 2kk1 n THR 54 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2kk1 s GLU 55 N -2.46 3.74 0.06 -0.78 -1.05 -0.90 -5.01 118.70 112.29 2kk1 s GLU 55 Ca -0.28 0.19 -0.30 0.00 -0.15 0.00 0.00 54.97 54.42 2kk1 s GLU 55 Cb 0.07 -2.63 -0.08 0.00 -0.44 0.00 0.00 34.13 31.06 2kk1 s GLU 55 CO 0.64 0.25 1.72 -2.14 0.95 0.00 0.00 175.26 176.68 2kk1 s PRO 56 N -3.17 4.18 0.05 -4.83 0.02 -1.26 -4.74 135.00 125.25 2kk1 s PRO 56 Ca 0.46 2.38 -0.02 0.00 0.02 0.00 0.00 61.00 63.85 2kk1 s PRO 56 Cb -0.11 -3.72 -0.04 0.00 0.02 0.00 0.00 34.50 30.66 2kk1 s PRO 56 CO 0.25 -0.79 -0.01 0.14 -0.33 0.00 0.00 177.00 176.26 2kk1 s VAL 57 N 3.07 0.21 0.20 3.83 -7.23 -1.26 -5.04 120.40 114.18 2kk1 s VAL 57 Ca 0.77 -1.73 -0.32 0.00 -1.81 0.00 0.00 61.98 58.89 2kk1 s VAL 57 Cb -0.40 -1.48 -0.12 0.00 0.56 0.00 0.00 36.38 34.94 2kk1 s VAL 57 CO 0.34 -0.95 1.71 -2.16 -0.31 0.00 0.00 175.10 173.72 2kk1 s PRO 58 N -3.87 4.13 0.53 4.82 0.04 -1.26 -4.15 135.00 135.24 2kk1 s PRO 58 Ca 0.06 2.58 0.22 0.00 0.04 0.00 0.00 61.00 63.90 2kk1 s PRO 58 Cb 0.07 -3.10 1.36 0.00 0.04 0.00 0.00 34.50 32.87 2kk1 s PRO 58 CO -0.10 -0.74 2.07 -0.91 0.04 0.00 0.00 177.00 177.35 2kk1 h ASN 59 N 6.87 0.00 -0.85 6.66 4.21 -1.54 0.12 115.58 131.05 2kk1 h ASN 59 Ca -0.43 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.06 2kk1 h ASN 59 Cb 1.20 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 38.36 2kk1 h ASN 59 CO 0.95 0.00 0.46 -1.28 -1.29 0.00 0.00 177.43 176.28 2kk1 h SER 60 N 0.00 1.06 -0.72 5.81 0.87 -1.90 -2.50 113.55 116.17 2kk1 h SER 60 Ca 0.14 -0.10 -0.05 0.00 -1.23 0.00 0.00 61.79 60.55 2kk1 h SER 60 Cb 0.57 -0.27 -0.03 0.00 -0.44 0.00 0.00 62.40 62.23 2kk1 h SER 60 CO -0.00 0.86 0.24 -0.61 -0.53 0.00 0.00 176.83 176.79 2kk1 h GLN 61 N 1.19 1.11 0.40 2.24 4.15 -1.13 -0.80 115.11 122.27 2kk1 h GLN 61 Ca 0.30 -0.22 -0.01 0.00 0.77 0.00 0.00 58.65 59.48 2kk1 h GLN 61 Cb 0.03 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.55 2kk1 h GLN 61 CO -0.05 0.93 -0.26 -0.07 -1.93 0.00 0.00 178.83 177.46 2kk1 h LEU 62 N 1.07 -0.66 -0.70 -2.39 3.38 -1.14 0.13 115.31 115.01 2kk1 h LEU 62 Ca 0.24 0.04 -0.06 0.00 0.09 0.00 0.00 57.88 58.19 2kk1 h LEU 62 Cb 0.27 0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 2kk1 h LEU 62 CO -0.01 -0.41 0.21 0.58 0.09 0.00 0.00 178.44 178.90 2kk1 h VAL 63 N -0.64 1.26 0.29 1.22 2.07 -1.39 -0.85 116.25 118.20 2kk1 h VAL 63 Ca -0.04 -0.90 -0.01 0.00 0.82 0.00 0.00 66.70 66.57 2kk1 h VAL 63 Cb 0.53 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 2kk1 h VAL 63 CO 0.03 0.35 -0.14 -0.78 0.02 0.00 0.00 177.57 177.05 2kk1 h ASP 64 N 1.03 -0.33 0.10 0.57 1.82 -1.07 -2.04 116.42 116.50 2kk1 h ASP 64 Ca 0.22 -0.12 -0.02 0.00 -0.39 0.00 0.00 57.03 56.73 2kk1 h ASP 64 Cb 0.31 0.08 -0.00 0.00 0.68 0.00 0.00 39.33 40.41 2kk1 h ASP 64 CO -0.01 -0.07 -0.08 0.74 -1.61 0.00 0.00 179.24 178.21 2kk1 h THR 65 N -0.59 0.98 -0.08 2.25 2.02 -0.70 -0.24 112.91 116.55 2kk1 h THR 65 Ca -0.04 -0.29 -0.11 0.00 0.77 0.00 0.00 66.41 66.75 2kk1 h THR 65 Cb 0.43 1.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.98 2kk1 h THR 65 CO 0.07 0.08 -0.42 1.23 0.37 0.00 0.00 175.52 176.84 2kk1 h GLY 66 N 0.27 0.21 1.55 2.16 0.00 -1.00 -3.23 103.07 103.03 2kk1 h GLY 66 Ca -0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 47.33 47.11 2kk1 h GLY 66 CO 0.01 0.18 0.17 0.45 0.00 0.00 0.00 176.54 177.35 2kk1 h HIS 67 N 0.16 0.58 -0.41 5.60 -0.00 -0.28 -2.22 115.15 118.58 2kk1 h HIS 67 Ca 0.01 -0.02 -0.09 0.00 -0.00 0.00 0.00 60.37 60.28 2kk1 h HIS 67 Cb 0.82 -0.18 -0.02 0.00 -0.00 0.00 0.00 27.41 28.03 2kk1 h HIS 67 CO 0.01 0.46 -0.10 -0.56 -0.00 0.00 0.00 177.93 177.74 2kk1 h GLN 68 N 0.59 0.72 -0.80 2.45 3.07 -1.56 -2.58 115.11 117.00 2kk1 h GLN 68 Ca 0.14 -0.23 0.04 0.00 0.09 0.00 0.00 58.65 58.70 2kk1 h GLN 68 Cb 0.12 -0.07 -0.05 0.00 0.08 0.00 0.00 27.48 27.57 2kk1 h GLN 68 CO -0.01 0.80 0.53 -0.07 0.09 0.00 0.00 178.83 180.17 2kk1 h LEU 69 N 0.66 0.84 -0.72 0.06 -0.00 -1.51 -0.48 115.31 114.16 2kk1 h LEU 69 Ca 0.12 -0.01 0.01 0.00 -0.00 0.00 0.00 57.88 58.00 2kk1 h LEU 69 Cb 0.55 -0.19 -0.04 0.00 -0.00 0.00 0.00 40.66 40.99 2kk1 h LEU 69 CO 0.03 0.57 0.47 -0.07 -0.00 0.00 0.00 178.44 179.45 2kk1 h LEU 70 N 0.97 0.81 0.08 1.67 -0.00 -1.26 0.31 115.31 117.89 2kk1 h LEU 70 Ca 0.32 -0.02 -0.00 0.00 -0.00 0.00 0.00 57.88 58.18 2kk1 h LEU 70 Cb 0.08 -0.20 0.00 0.00 -0.00 0.00 0.00 40.66 40.54 2kk1 h LEU 70 CO -0.10 0.58 -0.04 -0.78 -0.00 0.00 0.00 178.44 178.10 2kk1 h ASP 71 N 0.96 -0.09 -0.57 -0.43 3.58 -1.23 -0.83 116.42 117.80 2kk1 h ASP 71 Ca 0.27 -0.48 0.08 0.00 0.42 0.00 0.00 57.03 57.33 2kk1 h ASP 71 Cb -0.08 0.02 -0.07 0.00 1.72 0.00 0.00 39.33 40.93 2kk1 h ASP 71 CO -0.07 0.47 0.21 1.88 -2.88 0.00 0.00 179.24 178.85 2kk1 h TYR 72 N -0.70 0.37 -0.08 0.28 -1.99 -1.11 -2.12 116.97 111.61 2kk1 h TYR 72 Ca -0.01 0.03 -0.02 0.00 2.00 0.00 0.00 58.73 60.73 2kk1 h TYR 72 Cb 0.56 -0.08 -0.00 0.00 2.00 0.00 0.00 36.73 39.21 2kk1 h TYR 72 CO 0.11 0.10 -0.03 0.00 -0.00 0.00 0.00 178.16 178.34 2kk1 h SER 74 N -0.18 0.16 0.00 0.00 4.64 -0.97 -0.71 113.55 116.48 2kk1 h SER 74 Ca 0.02 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.31 2kk1 h SER 74 Cb 0.46 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.51 2kk1 h SER 74 CO 0.01 0.10 -0.25 1.23 -0.87 0.00 0.00 176.83 177.04 2kk1 h GLY 75 N 0.18 0.00 0.47 -0.77 0.00 -1.32 -3.38 103.07 98.25 2kk1 h GLY 75 Ca 0.20 0.00 0.13 0.00 0.00 0.00 0.00 47.33 47.66 2kk1 h GLY 75 CO -0.03 0.00 0.61 -1.82 0.00 0.00 0.00 176.54 175.30 2kk1 h TYR 76 N -1.00 1.00 -0.01 5.60 3.20 -0.80 -1.66 116.97 123.30 2kk1 h TYR 76 Ca -0.05 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.84 2kk1 h TYR 76 Cb 0.68 -0.31 -0.00 0.00 1.54 0.00 0.00 36.73 38.64 2kk1 h TYR 76 CO 0.11 0.37 0.01 -0.24 -1.64 0.00 0.00 178.16 176.77 2kk1 h VAL 77 N 0.85 1.00 0.00 1.81 3.04 -1.31 -1.38 116.25 120.26 2kk1 h VAL 77 Ca 0.48 -0.01 -0.03 0.00 -1.01 0.00 0.00 66.70 66.13 2kk1 h VAL 77 Cb 0.62 0.98 -0.00 0.00 -2.01 0.00 0.00 31.29 30.88 2kk1 h VAL 77 CO -0.25 0.00 -0.16 -0.78 -1.01 0.00 0.00 177.57 175.37 2kk1 h ASP 78 N 0.02 0.00 0.80 3.17 3.58 -1.47 -2.61 116.42 119.91 2kk1 h ASP 78 Ca 0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.46 2kk1 h ASP 78 Cb -0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 2kk1 h ASP 78 CO -0.00 0.16 -0.84 0.00 -2.88 0.00 0.00 179.24 175.69 2kk1 s ILE 80 N -3.23 3.51 -0.04 0.00 1.01 -0.99 -4.93 121.20 116.53 2kk1 s ILE 80 Ca 0.04 0.61 -0.23 0.00 0.00 0.00 0.00 60.65 61.07 2kk1 s ILE 80 Cb 0.12 -3.40 -0.25 0.00 0.01 0.00 0.00 42.46 38.94 2kk1 s ILE 80 CO 0.76 -0.06 0.99 1.55 0.00 0.00 0.00 174.94 178.18 2kk1 h PRO 81 N 9.79 0.25 -5.77 2.79 0.13 -1.91 -3.43 132.00 133.86 2kk1 h PRO 81 Ca -0.40 -0.31 -0.44 0.00 -0.87 0.00 0.00 66.00 63.97 2kk1 h PRO 81 Cb 1.19 0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 2kk1 h PRO 81 CO 0.95 1.05 1.35 -1.14 -0.23 0.00 0.00 178.00 179.99 2kk1 s GLN 82 N -2.91 2.32 0.41 0.86 2.00 -1.26 -4.84 119.66 116.25 2kk1 s GLN 82 Ca -0.15 0.89 0.09 0.00 -2.00 0.00 0.00 55.36 54.18 2kk1 s GLN 82 Cb 0.01 -4.54 0.85 0.00 0.80 0.00 0.00 33.01 30.13 2kk1 s GLN 82 CO 0.78 -3.12 2.00 1.15 -0.50 0.00 0.00 175.29 175.59 2kk1 h THR 83 N 7.31 1.13 0.35 -0.34 2.02 -1.98 -0.35 112.91 121.05 2kk1 h THR 83 Ca -0.21 -0.44 -0.00 0.00 0.77 0.00 0.00 66.41 66.52 2kk1 h THR 83 Cb 1.19 0.86 -0.02 0.00 -1.74 0.00 0.00 68.15 68.44 2kk1 h THR 83 CO 1.18 0.16 -0.30 0.03 0.37 0.00 0.00 175.52 176.96 2kk1 h ARG 84 N 0.37 -0.64 -0.83 6.66 2.47 -1.99 0.16 114.38 120.60 2kk1 h ARG 84 Ca 0.09 0.04 0.01 0.00 -1.26 0.00 0.00 59.98 58.87 2kk1 h ARG 84 Cb 0.14 0.14 -0.04 0.00 -1.65 0.00 0.00 29.97 28.56 2kk1 h ARG 84 CO -0.00 -0.42 0.54 -0.91 0.56 0.00 0.00 179.97 179.74 2kk1 h ASN 85 N -0.66 0.94 -0.75 7.04 4.21 -1.85 -1.75 115.58 122.75 2kk1 h ASN 85 Ca -0.03 -0.02 0.02 0.00 1.21 0.00 0.00 56.30 57.48 2kk1 h ASN 85 Cb 0.58 -0.23 -0.04 0.00 -1.12 0.00 0.00 38.32 37.51 2kk1 h ASN 85 CO -0.03 0.67 0.50 0.50 -1.29 0.00 0.00 177.43 177.78 2kk1 h LYS 86 N 1.10 0.95 0.08 0.81 3.64 -0.71 0.40 116.57 122.83 2kk1 h LYS 86 Ca 0.31 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.63 2kk1 h LYS 86 Cb -0.10 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.50 2kk1 h LYS 86 CO -0.07 0.63 -0.04 0.35 -2.27 0.00 0.00 179.45 178.04 2kk1 h PHE 87 N 0.97 -0.10 -0.52 1.91 3.57 -0.30 -0.73 116.94 121.75 2kk1 h PHE 87 Ca 0.29 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.87 2kk1 h PHE 87 Cb -0.04 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.71 2kk1 h PHE 87 CO -0.00 0.39 0.35 0.00 -2.23 0.00 0.00 178.31 176.83 2kk1 h ALA 88 N 0.18 2.03 -0.03 2.41 0.00 -1.07 -0.54 119.26 122.23 2kk1 h ALA 88 Ca -0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2kk1 h ALA 88 Cb 0.54 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 2kk1 h ALA 88 CO 0.02 -0.14 -0.02 0.35 0.00 0.00 0.00 179.25 179.46 2kk1 h PHE 89 N 0.35 0.08 -0.10 0.00 3.57 -0.17 -2.20 116.94 118.47 2kk1 h PHE 89 Ca 0.24 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.74 2kk1 h PHE 89 Cb 0.48 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.17 2kk1 h PHE 89 CO -0.00 0.46 -0.06 0.00 -2.23 0.00 0.00 178.31 176.48 2kk1 h ARG 90 N -0.33 -0.06 -0.71 1.11 2.47 -0.26 -0.74 114.38 115.85 2kk1 h ARG 90 Ca 0.01 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.71 2kk1 h ARG 90 Cb 0.44 0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 28.75 2kk1 h ARG 90 CO 0.00 -0.04 0.36 1.05 0.56 0.00 0.00 179.97 181.90 2kk1 h GLU 91 N -0.07 1.01 -0.67 0.04 4.11 -1.21 -0.89 114.58 116.90 2kk1 h GLU 91 Ca 0.06 -0.14 0.01 0.00 0.07 0.00 0.00 59.36 59.36 2kk1 h GLU 91 Cb 0.16 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 2kk1 h GLU 91 CO -0.14 0.78 0.44 0.00 0.07 0.00 0.00 179.01 180.16 2kk1 h ALA 92 N 1.18 0.85 -0.72 1.06 0.00 -1.14 -0.71 119.26 119.77 2kk1 h ALA 92 Ca 0.25 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 2kk1 h ALA 92 Cb 0.09 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 2kk1 h ALA 92 CO -0.03 0.27 0.39 0.28 0.00 0.00 0.00 179.25 180.16 2kk1 h VAL 93 N 0.90 1.22 -0.05 0.00 2.07 -0.80 -0.73 116.25 118.85 2kk1 h VAL 93 Ca 0.25 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 67.23 2kk1 h VAL 93 Cb -0.10 0.24 -0.00 0.00 -1.52 0.00 0.00 31.29 29.91 2kk1 h VAL 93 CO -0.06 0.24 0.03 -1.28 0.02 0.00 0.00 177.57 176.52 2kk1 h SER 94 N 1.01 0.05 -0.98 0.57 0.87 -0.13 -0.94 113.55 113.99 2kk1 h SER 94 Ca 0.26 0.00 0.06 0.00 -1.23 0.00 0.00 61.79 60.88 2kk1 h SER 94 Cb 0.03 -0.01 -0.06 0.00 -0.44 0.00 0.00 62.40 61.91 2kk1 h SER 94 CO -0.04 0.04 0.64 0.11 -0.53 0.00 0.00 176.83 177.04 2kk1 h LYS 95 N 0.06 1.12 0.22 2.24 6.56 -0.89 -1.66 116.57 124.22 2kk1 h LYS 95 Ca 0.02 -0.07 -0.01 0.00 -1.06 0.00 0.00 60.65 59.53 2kk1 h LYS 95 Cb -0.00 -0.25 0.00 0.00 -0.57 0.00 0.00 32.23 31.41 2kk1 h LYS 95 CO -0.01 0.74 -0.11 1.25 -2.06 0.00 0.00 179.45 179.26 2kk1 h LEU 96 N 1.15 -0.25 -0.68 2.94 5.85 -0.50 0.94 115.31 124.76 2kk1 h LEU 96 Ca 0.42 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 59.05 2kk1 h LEU 96 Cb 0.16 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 2kk1 h LEU 96 CO -0.16 -0.16 0.09 1.05 -0.34 0.00 0.00 178.44 178.92 2kk1 h GLU 97 N -0.32 1.11 -0.82 1.25 4.11 -1.05 -0.86 114.58 117.99 2kk1 h GLU 97 Ca -0.03 -0.31 -0.03 0.00 0.07 0.00 0.00 59.36 59.06 2kk1 h GLU 97 Cb 0.25 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.34 2kk1 h GLU 97 CO 0.05 1.02 0.40 -0.07 0.07 0.00 0.00 179.01 180.48 2kk1 h LEU 98 N 1.03 1.07 -1.09 3.06 3.38 -1.21 -0.52 115.31 121.03 2kk1 h LEU 98 Ca 0.20 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 2kk1 h LEU 98 Cb 0.47 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 2kk1 h LEU 98 CO 0.02 0.91 -0.20 0.28 0.09 0.00 0.00 178.44 179.54 2kk1 h SER 99 N 1.16 0.40 -0.31 -0.43 0.02 -0.42 -2.06 113.55 111.91 2kk1 h SER 99 Ca 0.28 -0.11 -0.16 0.00 -0.84 0.00 0.00 61.79 60.96 2kk1 h SER 99 Cb 0.12 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 62.55 2kk1 h SER 99 CO -0.04 0.61 -0.41 -0.07 -1.14 0.00 0.00 176.83 175.78 2kk1 h LEU 100 N 0.37 0.90 -0.68 5.07 3.38 -0.64 -2.03 115.31 121.69 2kk1 h LEU 100 Ca 0.06 -0.50 -0.14 0.00 0.09 0.00 0.00 57.88 57.40 2kk1 h LEU 100 Cb 0.56 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2kk1 h LEU 100 CO 0.04 1.22 -0.45 0.06 0.09 0.00 0.00 178.44 179.40 2kk1 h GLN 101 N 0.61 0.49 0.00 1.13 3.07 -0.93 -2.43 115.11 117.05 2kk1 h GLN 101 Ca 0.04 -0.27 -0.19 0.00 0.09 0.00 0.00 58.65 58.33 2kk1 h GLN 101 Cb 1.01 0.01 -0.02 0.00 0.08 0.00 0.00 27.48 28.56 2kk1 h GLN 101 CO 0.10 0.85 -0.84 1.05 0.09 0.00 0.00 178.83 180.07 2kk1 h GLU 102 N 0.40 0.13 0.36 0.06 4.11 -1.43 -3.30 114.58 114.91 2kk1 h GLU 102 Ca 0.03 -0.14 -0.02 0.00 0.07 0.00 0.00 59.36 59.30 2kk1 h GLU 102 Cb 0.95 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.24 2kk1 h GLU 102 CO 0.08 0.90 -0.17 1.25 0.07 0.00 0.00 179.01 181.14 2kk1 h LEU 103 N 0.07 -0.41 -2.68 3.06 5.85 -1.22 -0.09 115.31 119.88 2kk1 h LEU 103 Ca -0.03 -0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.59 2kk1 h LEU 103 Cb 1.47 0.11 -0.00 0.00 0.37 0.00 0.00 40.66 42.60 2kk1 h LEU 103 CO 0.12 -0.13 0.06 0.06 -0.34 0.00 0.00 178.44 178.21 2kk1 h GLN 104 N -0.69 0.00 0.00 1.25 3.07 -1.55 0.41 115.11 117.60 2kk1 h GLN 104 Ca -0.05 0.00 -0.35 0.00 0.09 0.00 0.00 58.65 58.34 2kk1 h GLN 104 Cb 0.49 0.00 -0.07 0.00 0.08 0.00 0.00 27.48 27.98 2kk1 h GLN 104 CO 0.08 0.00 -2.34 1.33 0.09 0.00 0.00 178.83 177.99 2kk1 n VAL 105 N -3.31 1.35 -0.82 1.86 0.24 -1.20 -4.42 118.33 112.03 2kk1 n VAL 105 Ca -0.02 -0.84 0.08 0.00 -2.04 0.00 0.00 64.34 61.51 2kk1 n VAL 105 Cb 0.14 -0.47 0.36 0.00 -1.47 0.00 0.00 33.84 32.40 2kk1 n VAL 105 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2kk1 n SER 106 N -2.75 5.04 -0.03 -1.34 7.64 -0.05 -4.70 113.62 117.43 2kk1 n SER 106 Ca -0.31 -2.78 -0.09 0.00 1.01 0.00 0.00 58.87 56.70 2kk1 n SER 106 Cb 1.13 -0.61 -0.02 0.00 -1.01 0.00 0.00 64.21 63.69 2kk1 n SER 106 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2kk1 h SER 107 N 3.57 -0.75 -1.51 6.43 4.64 -0.44 -3.46 113.55 122.03 2kk1 h SER 107 Ca 0.00 0.13 -0.38 0.00 -0.47 0.00 0.00 61.79 61.07 2kk1 h SER 107 Cb 1.69 0.35 -0.13 0.00 -0.31 0.00 0.00 62.40 64.00 2kk1 h SER 107 CO 0.35 -0.28 -0.37 0.00 -0.87 0.00 0.00 176.83 175.66 2kk1 n ALA 108 N -2.76 -0.36 -3.61 5.18 0.00 -1.26 -4.88 120.51 112.81 2kk1 n ALA 108 Ca -0.02 0.27 -0.06 0.00 0.00 0.00 0.00 53.44 53.63 2kk1 n ALA 108 Cb 0.28 -1.90 -0.02 0.00 0.00 0.00 0.00 19.45 17.82 2kk1 n ALA 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kk1 s ALA 109 N -2.65 -1.73 -0.14 0.00 0.00 -1.26 -5.04 121.76 110.93 2kk1 s ALA 109 Ca 0.00 0.59 0.16 0.00 0.00 0.00 0.00 51.96 52.71 2kk1 s ALA 109 Cb 0.00 0.54 -0.24 0.00 0.00 0.00 0.00 23.12 23.42 2kk1 s ALA 109 CO 0.00 -0.85 0.30 0.00 0.00 0.00 0.00 175.76 175.21 2kk1 n ALA 110 N -0.35 1.55 -2.67 0.00 0.00 -1.26 -4.77 120.51 113.01 2kk1 n ALA 110 Ca -0.08 -1.10 -0.05 0.00 0.00 0.00 0.00 53.44 52.22 2kk1 n ALA 110 Cb 0.61 -0.44 0.07 0.00 0.00 0.00 0.00 19.45 19.69 2kk1 n ALA 110 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kk1 n GLY 111 N 1.66 -1.75 2.99 0.00 0.00 -1.26 -1.42 105.19 105.40 2kk1 n GLY 111 Ca -0.26 1.03 -0.26 0.00 0.00 0.00 0.00 46.02 46.53 2kk1 n GLY 111 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kk1 s VAL 112 N 0.17 1.17 0.49 1.61 1.01 -1.26 -4.49 120.40 119.10 2kk1 s VAL 112 Ca 0.26 -0.45 -0.14 0.00 0.00 0.00 0.00 61.98 61.65 2kk1 s VAL 112 Cb 0.20 -1.10 -0.07 0.00 0.00 0.00 0.00 36.38 35.41 2kk1 s VAL 112 CO -0.08 0.38 0.91 -2.16 0.00 0.00 0.00 175.10 174.14 2kk1 s PRO 113 N 1.05 3.84 0.00 2.72 0.04 -1.26 -4.23 135.00 137.16 2kk1 s PRO 113 Ca -0.07 0.75 0.00 0.00 0.04 0.00 0.00 61.00 61.72 2kk1 s PRO 113 Cb -0.15 -2.22 0.00 0.00 0.04 0.00 0.00 34.50 32.17 2kk1 s PRO 113 CO -0.01 -0.22 0.00 0.41 0.04 0.00 0.00 177.00 177.21 2kk1 n GLY 114 N -1.64 1.94 0.35 0.56 0.00 -1.26 -4.78 105.19 100.36 2kk1 n GLY 114 Ca 0.05 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.24 2kk1 n GLY 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kk1 h THR 115 N 0.00 0.70 -4.29 2.61 1.03 -1.98 -3.41 112.91 107.56 2kk1 h THR 115 Ca 0.00 0.00 -0.55 0.00 -0.01 0.00 0.00 66.41 65.85 2kk1 h THR 115 Cb 0.00 0.80 -0.29 0.00 -1.07 0.00 0.00 68.15 67.58 2kk1 h THR 115 CO 0.00 0.00 -0.83 0.20 -0.01 0.00 0.00 175.52 174.88 2kk1 s ASN 116 N -6.22 2.06 0.53 0.00 0.01 -1.26 -5.02 114.94 105.03 2kk1 s ASN 116 Ca -0.05 -0.32 0.27 0.00 -0.71 0.00 0.00 52.86 52.06 2kk1 s ASN 116 Cb 0.18 -0.25 1.51 0.00 0.41 0.00 0.00 41.25 43.10 2kk1 s ASN 116 CO 0.67 0.21 2.11 1.55 -1.51 0.00 0.00 177.10 180.13 2kk1 h PRO 117 N 5.74 0.00 -0.67 -0.60 0.13 -1.98 -2.67 132.00 131.95 2kk1 h PRO 117 Ca -0.37 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 64.86 2kk1 h PRO 117 Cb 1.15 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.24 2kk1 h PRO 117 CO 0.48 0.10 0.45 0.28 -0.23 0.00 0.00 178.00 179.08 2kk1 h VAL 118 N 0.00 0.91 -0.68 1.56 2.07 -1.96 0.28 116.25 118.43 2kk1 h VAL 118 Ca -0.00 -0.18 0.02 0.00 0.82 0.00 0.00 66.70 67.36 2kk1 h VAL 118 Cb 0.27 0.35 -0.04 0.00 -1.52 0.00 0.00 31.29 30.35 2kk1 h VAL 118 CO 0.01 0.09 0.45 -0.07 0.02 0.00 0.00 177.57 178.07 2kk1 h LEU 119 N 0.52 0.75 -0.35 2.57 3.38 -1.85 -0.74 115.31 119.58 2kk1 h LEU 119 Ca 0.31 -0.02 -0.19 0.00 0.09 0.00 0.00 57.88 58.07 2kk1 h LEU 119 Cb 0.52 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 2kk1 h LEU 119 CO -0.10 0.53 -0.76 0.78 0.09 0.00 0.00 178.44 178.98 2kk1 h ASN 120 N 0.88 0.53 -0.08 -0.43 2.35 -1.14 -2.10 115.58 115.59 2kk1 h ASN 120 Ca 0.26 -0.36 0.03 0.00 -0.55 0.00 0.00 56.30 55.68 2kk1 h ASN 120 Cb -0.04 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.14 2kk1 h ASN 120 CO -0.06 1.11 -0.11 0.78 -1.65 0.00 0.00 177.43 177.50 2kk1 h ASN 121 N 0.29 -0.34 -0.21 5.81 2.35 -0.37 -0.08 115.58 123.03 2kk1 h ASN 121 Ca -0.04 0.06 0.04 0.00 -0.55 0.00 0.00 56.30 55.81 2kk1 h ASN 121 Cb 1.35 0.16 -0.04 0.00 0.05 0.00 0.00 38.32 39.85 2kk1 h ASN 121 CO 0.13 -0.15 -0.04 -0.07 -1.65 0.00 0.00 177.43 175.65 2kk1 h LEU 122 N -0.15 -0.17 -0.71 1.61 3.38 -1.17 0.04 115.31 118.14 2kk1 h LEU 122 Ca 0.07 0.06 0.11 0.00 0.09 0.00 0.00 57.88 58.20 2kk1 h LEU 122 Cb 0.25 0.12 -0.08 0.00 0.09 0.00 0.00 40.66 41.04 2kk1 h LEU 122 CO -0.17 -0.06 0.33 0.25 0.09 0.00 0.00 178.44 178.88 2kk1 h LEU 123 N 0.02 0.39 -0.26 1.67 5.85 -1.04 0.10 115.31 122.04 2kk1 h LEU 123 Ca 0.10 0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.86 2kk1 h LEU 123 Cb 0.15 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 2kk1 h LEU 123 CO -0.21 0.21 0.01 -1.28 -0.34 0.00 0.00 178.44 176.83 2kk1 h SER 124 N 0.54 0.44 -0.53 1.25 0.87 -0.67 -2.22 113.55 113.22 2kk1 h SER 124 Ca 0.36 -0.30 0.04 0.00 -1.23 0.00 0.00 61.79 60.66 2kk1 h SER 124 Cb 0.44 -0.12 -0.04 0.00 -0.44 0.00 0.00 62.40 62.24 2kk1 h SER 124 CO -0.31 0.63 0.30 0.00 -0.53 0.00 0.00 176.83 176.92 2kk1 h VAL 126 N 0.58 0.77 -0.50 0.00 2.07 -0.78 -1.91 116.25 116.48 2kk1 h VAL 126 Ca 0.23 -0.21 0.08 0.00 0.82 0.00 0.00 66.70 67.61 2kk1 h VAL 126 Cb 0.08 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 2kk1 h VAL 126 CO -0.13 0.05 0.34 1.56 0.02 0.00 0.00 177.57 179.41 2kk1 h GLN 127 N -0.46 0.35 0.27 1.57 4.20 -1.30 -1.72 115.11 118.02 2kk1 h GLN 127 Ca -0.04 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.64 2kk1 h GLN 127 Cb 0.35 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.05 2kk1 h GLN 127 CO 0.06 0.23 -0.13 1.49 -0.67 0.00 0.00 178.83 179.81 2kk1 h GLU 128 N 0.36 -0.36 -0.23 1.46 4.57 -1.07 -2.20 114.58 117.11 2kk1 h GLU 128 Ca 0.23 0.02 0.05 0.00 -1.18 0.00 0.00 59.36 58.48 2kk1 h GLU 128 Cb 0.43 0.08 -0.05 0.00 -0.16 0.00 0.00 28.75 29.05 2kk1 h GLU 128 CO -0.05 -0.03 -0.12 0.82 -1.18 0.00 0.00 179.01 178.45 2kk1 h ILE 129 N -0.73 0.63 -0.55 2.32 2.04 -0.88 -0.51 117.51 119.83 2kk1 h ILE 129 Ca -0.04 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.77 2kk1 h ILE 129 Cb 0.49 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 37.18 2kk1 h ILE 129 CO 0.06 0.00 0.15 0.77 0.00 0.00 0.00 178.15 179.13 2kk1 h SER 130 N -0.10 0.77 -0.23 1.72 4.64 -1.42 -2.93 113.55 116.01 2kk1 h SER 130 Ca 0.12 -0.13 -0.15 0.00 -0.47 0.00 0.00 61.79 61.16 2kk1 h SER 130 Cb 0.28 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.17 2kk1 h SER 130 CO -0.29 0.75 -0.41 -0.78 -0.87 0.00 0.00 176.83 175.23 2kk1 h ASP 131 N 0.80 0.83 -0.89 4.97 3.58 -0.80 -3.09 116.42 121.83 2kk1 h ASP 131 Ca 0.18 -0.38 0.10 0.00 0.42 0.00 0.00 57.03 57.34 2kk1 h ASP 131 Cb 0.27 -0.23 -0.06 0.00 1.72 0.00 0.00 39.33 41.02 2kk1 h ASP 131 CO -0.00 1.13 0.57 0.58 -2.88 0.00 0.00 179.24 178.64 2kk1 h VAL 132 N 0.63 0.97 0.00 2.25 2.07 -0.92 -0.38 116.25 120.87 2kk1 h VAL 132 Ca 0.05 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.27 2kk1 h VAL 132 Cb 0.97 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 2kk1 h VAL 132 CO 0.09 0.16 0.00 0.58 0.02 0.00 0.00 177.57 178.42 2kk1 h VAL 133 N 0.88 0.00 -0.53 2.57 2.07 -1.52 -2.92 116.25 116.81 2kk1 h VAL 133 Ca 0.41 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.50 2kk1 h VAL 133 Cb 0.41 1.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 2kk1 h VAL 133 CO -0.18 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.41 2kk1 n GLN 134 N -2.74 3.01 0.00 1.57 6.02 -0.16 -5.15 117.38 119.94 2kk1 n GLN 134 Ca 0.02 -2.24 0.10 0.00 -0.01 0.00 0.00 57.00 54.87 2kk1 n GLN 134 Cb 0.29 -1.70 0.09 0.00 1.02 0.00 0.00 30.24 29.94 2kk1 n GLN 134 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59